| General Property |
| Molceule ID (DB) | EGIN0002015 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | (2R)-2-[(4-{[1-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propanamide |
| Formula | C22H19N7O2S |
| Mass | 445.497 |
| Exact Mass | 445.1320936 |
| Composition | C (59.31%), H (4.3%), N (22.01%), O (7.18%), S (7.2%) |
| Atom Count | 51 |
| PI | 9.54 |
| Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cscn1)O[C@@H](C(=O)N)C |
| InChI | InChI=1S/C22H19N7O2S/c1-13(21(23)30)31-19-4-2-3-17-20(19)22(25-11-24-17)28-15-5-6-18-14(7-15)8-27-29
(18)9-16-10-32-12-26-16/h2-8,10-13H,9H2,1H3,(H2,23,30)(H,24,25,28)/t13-/m1/s1 |
| InChIKey | InChIKey=RVVGPIUUCSXRDL-CYBMUJFWSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 18313293 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
16117758
|
| Drug Bank Link | - |
| ChemSpider Link | 17274967 |
| ChEMBL Link | CHEMBL257196 |
